Basic information
- CAS
61178-11-8- Standard SMILES
Nc1ncc[n+]([O-])n1- InChIKey
JOZJAGNTWSVAQS-UHFFFAOYSA-N- Molecular formula
- C3H4N4O
- Average molar mass
- 112.09 g/mol
- Monoisotopic mass
- 112.03851076
Names & identifiers
- Preferred name
- 1-Oxo-1lambda~5~,2,4-triazin-3-amine
- IUPAC
- 1-oxido-1,2,4-triazin-1-ium-3-amine
Names & synonyms
1-Oxo-1lambda~5~,2,4-triazin-3-amine61178-11-8DTXSID60495231RefChem:232826DTXCID60446041SCHEMBL11870557
Database identifiers
- CAS
61178-11-8- PubChem CID
- 12377837
- DTXSID
DTXSID60495231
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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